USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 HIS : no HD1:sc= 0.709 K(o=1.5,f=-0.11) USER MOD Set 1.2: A 49 TYR OH : rot 92:sc= 0.818 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -63:sc= 0.828 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 11:sc= 0.542 USER MOD Single : A 36 ASN : amide:sc= -3.32 K(o=-3.3,f=-3.9!) USER MOD Single : A 37 SER OG : rot 167:sc= -5.45! USER MOD Single : A 38 ASN : amide:sc= -5.13 K(o=-5.1,f=-7!) USER MOD Single : A 43 LYS NZ :NH3+ -131:sc= 0.983 (180deg=-2.15!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.4) USER MOD Single : A 47 SER OG : rot -66:sc= 1.16 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -5.62! C(o=-8.7!,f=-5.6!) USER MOD Single : A 52 CYS SG : rot -160:sc= -4.93! USER MOD Single : A 53 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.049) USER MOD Single : A 62 THR OG1 : rot -50:sc= 0.671 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.8!) USER MOD Single : A 81 SER OG : rot 72:sc= 0.364 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 84 HIS : no HD1:sc= -0.0714 X(o=-0.071,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 175 N ARG A 16 0.514 5.254 14.967 1.00 0.00 N ATOM 176 CA ARG A 16 1.486 6.247 14.543 1.00 0.00 C ATOM 177 C ARG A 16 1.724 6.146 13.035 1.00 0.00 C ATOM 178 O ARG A 16 1.864 5.048 12.497 1.00 0.00 O ATOM 179 CB ARG A 16 2.817 6.062 15.275 1.00 0.00 C ATOM 180 CG ARG A 16 3.891 6.990 14.703 1.00 0.00 C ATOM 181 CD ARG A 16 3.519 8.458 14.918 1.00 0.00 C ATOM 182 NE ARG A 16 3.563 8.785 16.361 1.00 0.00 N ATOM 183 CZ ARG A 16 2.985 9.864 16.905 1.00 0.00 C ATOM 184 NH1 ARG A 16 2.315 10.728 16.130 1.00 0.00 N ATOM 185 NH2 ARG A 16 3.077 10.080 18.224 1.00 0.00 N ATOM 0 HA ARG A 16 1.083 7.230 14.786 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.683 6.266 16.337 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.143 5.026 15.188 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.849 6.780 15.179 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.015 6.795 13.638 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.208 9.100 14.370 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.521 8.651 14.523 1.00 0.00 H new ATOM 0 HE ARG A 16 4.065 8.149 16.980 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.245 10.564 15.126 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.875 11.550 16.544 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.587 9.423 18.814 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.637 10.902 18.638 1.00 0.00 H new ATOM 199 N ILE A 17 1.763 7.305 12.395 1.00 0.00 N ATOM 200 CA ILE A 17 1.981 7.361 10.959 1.00 0.00 C ATOM 201 C ILE A 17 3.483 7.444 10.679 1.00 0.00 C ATOM 202 O ILE A 17 4.243 7.961 11.496 1.00 0.00 O ATOM 203 CB ILE A 17 1.176 8.505 10.339 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.256 8.524 10.880 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.210 8.434 8.811 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.064 7.346 10.332 1.00 0.00 C ATOM 0 H ILE A 17 1.647 8.213 12.844 1.00 0.00 H new ATOM 0 HA ILE A 17 1.617 6.451 10.482 1.00 0.00 H new ATOM 0 HB ILE A 17 1.642 9.447 10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.238 8.482 11.969 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.740 9.461 10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.630 9.258 8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.242 8.506 8.466 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.782 7.487 8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.077 7.383 10.732 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.101 7.405 9.244 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.590 6.410 10.629 1.00 0.00 H new ATOM 218 N ILE A 18 3.865 6.926 9.521 1.00 0.00 N ATOM 219 CA ILE A 18 5.263 6.935 9.123 1.00 0.00 C ATOM 220 C ILE A 18 5.366 7.333 7.649 1.00 0.00 C ATOM 221 O ILE A 18 4.423 7.141 6.883 1.00 0.00 O ATOM 222 CB ILE A 18 5.920 5.591 9.445 1.00 0.00 C ATOM 223 CG1 ILE A 18 5.092 4.430 8.892 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.173 5.451 10.947 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.976 3.213 8.608 1.00 0.00 C ATOM 0 H ILE A 18 3.232 6.498 8.846 1.00 0.00 H new ATOM 0 HA ILE A 18 5.818 7.680 9.694 1.00 0.00 H new ATOM 0 HB ILE A 18 6.891 5.558 8.951 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.314 4.160 9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.589 4.741 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.640 4.487 11.149 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.833 6.252 11.281 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.226 5.514 11.483 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.363 2.402 8.216 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.737 3.480 7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.458 2.890 9.531 1.00 0.00 H new ATOM 237 N ARG A 19 6.520 7.879 7.296 1.00 0.00 N ATOM 238 CA ARG A 19 6.759 8.306 5.928 1.00 0.00 C ATOM 239 C ARG A 19 7.384 7.167 5.118 1.00 0.00 C ATOM 240 O ARG A 19 8.576 6.892 5.245 1.00 0.00 O ATOM 241 CB ARG A 19 7.686 9.522 5.883 1.00 0.00 C ATOM 242 CG ARG A 19 8.124 9.826 4.449 1.00 0.00 C ATOM 243 CD ARG A 19 8.819 11.186 4.365 1.00 0.00 C ATOM 244 NE ARG A 19 10.152 11.035 3.741 1.00 0.00 N ATOM 245 CZ ARG A 19 11.038 12.033 3.610 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.737 13.259 4.058 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.224 11.804 3.030 1.00 0.00 N ATOM 0 H ARG A 19 7.300 8.036 7.934 1.00 0.00 H new ATOM 0 HA ARG A 19 5.797 8.581 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.175 10.389 6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.563 9.338 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.800 9.046 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.256 9.816 3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.212 11.879 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.921 11.614 5.362 1.00 0.00 H new ATOM 0 HE ARG A 19 10.413 10.114 3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.834 13.433 4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.411 14.018 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.453 10.871 2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.898 12.563 2.930 1.00 0.00 H new ATOM 261 N VAL A 20 6.550 6.536 4.304 1.00 0.00 N ATOM 262 CA VAL A 20 7.006 5.434 3.475 1.00 0.00 C ATOM 263 C VAL A 20 7.112 5.904 2.023 1.00 0.00 C ATOM 264 O VAL A 20 6.110 6.275 1.412 1.00 0.00 O ATOM 265 CB VAL A 20 6.078 4.230 3.648 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.599 3.020 2.870 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.889 3.891 5.127 1.00 0.00 C ATOM 0 H VAL A 20 5.562 6.767 4.201 1.00 0.00 H new ATOM 0 HA VAL A 20 7.999 5.108 3.785 1.00 0.00 H new ATOM 0 HB VAL A 20 5.104 4.497 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.921 2.178 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.657 3.267 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.590 2.752 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.225 3.032 5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.855 3.654 5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.452 4.746 5.643 1.00 0.00 H new ATOM 277 N SER A 21 8.333 5.872 1.511 1.00 0.00 N ATOM 278 CA SER A 21 8.582 6.290 0.142 1.00 0.00 C ATOM 279 C SER A 21 8.094 5.215 -0.831 1.00 0.00 C ATOM 280 O SER A 21 8.691 4.145 -0.930 1.00 0.00 O ATOM 281 CB SER A 21 10.068 6.576 -0.085 1.00 0.00 C ATOM 282 OG SER A 21 10.497 7.750 0.599 1.00 0.00 O ATOM 0 H SER A 21 9.161 5.563 2.020 1.00 0.00 H new ATOM 0 HA SER A 21 8.030 7.212 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.657 5.724 0.254 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.256 6.689 -1.153 1.00 0.00 H new ATOM 0 HG SER A 21 11.451 7.897 0.430 1.00 0.00 H new ATOM 288 N VAL A 22 7.012 5.538 -1.524 1.00 0.00 N ATOM 289 CA VAL A 22 6.436 4.613 -2.486 1.00 0.00 C ATOM 290 C VAL A 22 7.087 4.834 -3.853 1.00 0.00 C ATOM 291 O VAL A 22 7.006 5.926 -4.413 1.00 0.00 O ATOM 292 CB VAL A 22 4.914 4.769 -2.516 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.317 4.087 -3.748 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.282 4.231 -1.230 1.00 0.00 C ATOM 0 H VAL A 22 6.519 6.427 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 22 6.638 3.583 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 22 4.688 5.833 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.234 4.213 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.732 4.537 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.559 3.024 -3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.200 4.354 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.523 3.173 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.673 4.782 -0.374 1.00 0.00 H new ATOM 304 N LYS A 23 7.717 3.780 -4.350 1.00 0.00 N ATOM 305 CA LYS A 23 8.381 3.846 -5.641 1.00 0.00 C ATOM 306 C LYS A 23 7.458 3.266 -6.714 1.00 0.00 C ATOM 307 O LYS A 23 7.101 2.090 -6.661 1.00 0.00 O ATOM 308 CB LYS A 23 9.750 3.166 -5.574 1.00 0.00 C ATOM 309 CG LYS A 23 10.791 3.950 -6.376 1.00 0.00 C ATOM 310 CD LYS A 23 11.522 4.959 -5.487 1.00 0.00 C ATOM 311 CE LYS A 23 13.002 4.597 -5.350 1.00 0.00 C ATOM 312 NZ LYS A 23 13.828 5.448 -6.235 1.00 0.00 N ATOM 0 H LYS A 23 7.782 2.876 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 23 8.578 4.882 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.070 3.087 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.675 2.151 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.511 3.260 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.303 4.472 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.426 5.959 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.057 4.984 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.319 4.723 -4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.151 3.547 -5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.830 5.189 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.536 5.307 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.699 6.447 -5.975 1.00 0.00 H new ATOM 326 N THR A 24 7.099 4.117 -7.664 1.00 0.00 N ATOM 327 CA THR A 24 6.225 3.704 -8.748 1.00 0.00 C ATOM 328 C THR A 24 6.988 3.693 -10.074 1.00 0.00 C ATOM 329 O THR A 24 8.004 4.372 -10.215 1.00 0.00 O ATOM 330 CB THR A 24 5.008 4.632 -8.755 1.00 0.00 C ATOM 331 OG1 THR A 24 5.526 5.879 -9.210 1.00 0.00 O ATOM 332 CG2 THR A 24 4.494 4.935 -7.346 1.00 0.00 C ATOM 0 H THR A 24 7.398 5.091 -7.705 1.00 0.00 H new ATOM 0 HA THR A 24 5.872 2.683 -8.604 1.00 0.00 H new ATOM 0 HB THR A 24 4.210 4.179 -9.343 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.188 6.212 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.630 5.597 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.204 4.005 -6.857 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.281 5.419 -6.768 1.00 0.00 H new ATOM 340 N PRO A 25 6.456 2.893 -11.037 1.00 0.00 N ATOM 341 CA PRO A 25 7.076 2.785 -12.346 1.00 0.00 C ATOM 342 C PRO A 25 6.806 4.035 -13.186 1.00 0.00 C ATOM 343 O PRO A 25 6.129 3.964 -14.211 1.00 0.00 O ATOM 344 CB PRO A 25 6.489 1.522 -12.956 1.00 0.00 C ATOM 345 CG PRO A 25 5.225 1.226 -12.165 1.00 0.00 C ATOM 346 CD PRO A 25 5.254 2.075 -10.905 1.00 0.00 C ATOM 0 HA PRO A 25 8.163 2.718 -12.292 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.264 1.667 -14.013 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.194 0.693 -12.891 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.340 1.455 -12.759 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.173 0.167 -11.911 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.361 2.694 -10.824 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.294 1.454 -10.010 1.00 0.00 H new ATOM 354 N GLN A 26 7.349 5.150 -12.721 1.00 0.00 N ATOM 355 CA GLN A 26 7.176 6.414 -13.417 1.00 0.00 C ATOM 356 C GLN A 26 7.734 7.563 -12.576 1.00 0.00 C ATOM 357 O GLN A 26 8.532 8.363 -13.063 1.00 0.00 O ATOM 358 CB GLN A 26 5.705 6.652 -13.763 1.00 0.00 C ATOM 359 CG GLN A 26 5.516 6.817 -15.272 1.00 0.00 C ATOM 360 CD GLN A 26 4.270 7.649 -15.581 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.334 8.842 -15.829 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.135 6.955 -15.551 1.00 0.00 N ATOM 0 H GLN A 26 7.909 5.205 -11.870 1.00 0.00 H new ATOM 0 HA GLN A 26 7.733 6.371 -14.353 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.104 5.815 -13.407 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.346 7.543 -13.248 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.395 7.298 -15.702 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.428 5.837 -15.740 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.152 5.958 -15.336 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.248 7.420 -15.743 1.00 0.00 H new ATOM 371 N ASP A 27 7.293 7.610 -11.327 1.00 0.00 N ATOM 372 CA ASP A 27 7.739 8.648 -10.414 1.00 0.00 C ATOM 373 C ASP A 27 7.833 8.072 -9.000 1.00 0.00 C ATOM 374 O ASP A 27 7.672 6.868 -8.804 1.00 0.00 O ATOM 375 CB ASP A 27 6.751 9.816 -10.383 1.00 0.00 C ATOM 376 CG ASP A 27 7.389 11.205 -10.453 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.465 11.304 -11.081 1.00 0.00 O ATOM 378 OD2 ASP A 27 6.786 12.136 -9.877 1.00 0.00 O ATOM 0 H ASP A 27 6.631 6.945 -10.926 1.00 0.00 H new ATOM 0 HA ASP A 27 8.710 9.005 -10.758 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.058 9.708 -11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.161 9.749 -9.469 1.00 0.00 H new ATOM 383 N CYS A 28 8.093 8.958 -8.050 1.00 0.00 N ATOM 384 CA CYS A 28 8.210 8.552 -6.660 1.00 0.00 C ATOM 385 C CYS A 28 7.259 9.413 -5.826 1.00 0.00 C ATOM 386 O CYS A 28 7.128 10.612 -6.068 1.00 0.00 O ATOM 387 CB CYS A 28 9.654 8.651 -6.161 1.00 0.00 C ATOM 388 SG CYS A 28 10.105 10.404 -5.892 1.00 0.00 S ATOM 0 H CYS A 28 8.226 9.956 -8.216 1.00 0.00 H new ATOM 0 HA CYS A 28 7.931 7.503 -6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.766 8.092 -5.232 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.330 8.200 -6.888 1.00 0.00 H new ATOM 0 HG CYS A 28 9.036 11.141 -5.954 1.00 0.00 H new ATOM 394 N HIS A 29 6.620 8.768 -4.861 1.00 0.00 N ATOM 395 CA HIS A 29 5.685 9.459 -3.990 1.00 0.00 C ATOM 396 C HIS A 29 5.797 8.901 -2.570 1.00 0.00 C ATOM 397 O HIS A 29 5.950 7.695 -2.384 1.00 0.00 O ATOM 398 CB HIS A 29 4.262 9.380 -4.549 1.00 0.00 C ATOM 399 CG HIS A 29 3.679 10.718 -4.935 1.00 0.00 C ATOM 400 ND1 HIS A 29 2.915 11.481 -4.069 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.756 11.421 -6.101 1.00 0.00 C ATOM 402 CE1 HIS A 29 2.553 12.590 -4.696 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.074 12.551 -5.956 1.00 0.00 N ATOM 0 H HIS A 29 6.732 7.774 -4.663 1.00 0.00 H new ATOM 0 HA HIS A 29 5.938 10.518 -3.947 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.262 8.729 -5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.616 8.915 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.283 11.111 -6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.951 13.386 -4.282 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.959 13.271 -6.669 1.00 0.00 H new ATOM 411 N GLU A 30 5.715 9.805 -1.605 1.00 0.00 N ATOM 412 CA GLU A 30 5.805 9.418 -0.208 1.00 0.00 C ATOM 413 C GLU A 30 4.412 9.387 0.425 1.00 0.00 C ATOM 414 O GLU A 30 3.669 10.364 0.347 1.00 0.00 O ATOM 415 CB GLU A 30 6.736 10.356 0.562 1.00 0.00 C ATOM 416 CG GLU A 30 6.154 11.770 0.633 1.00 0.00 C ATOM 417 CD GLU A 30 7.188 12.810 0.196 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.725 12.643 -0.920 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.417 13.750 0.988 1.00 0.00 O ATOM 0 H GLU A 30 5.587 10.804 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 30 6.229 8.415 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.892 9.972 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.712 10.384 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.273 11.837 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.827 11.982 1.651 1.00 0.00 H new ATOM 426 N PHE A 31 4.101 8.253 1.037 1.00 0.00 N ATOM 427 CA PHE A 31 2.811 8.082 1.683 1.00 0.00 C ATOM 428 C PHE A 31 2.962 8.030 3.205 1.00 0.00 C ATOM 429 O PHE A 31 3.926 7.464 3.717 1.00 0.00 O ATOM 430 CB PHE A 31 2.239 6.750 1.193 1.00 0.00 C ATOM 431 CG PHE A 31 1.573 6.827 -0.182 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.311 7.146 -1.278 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.242 6.576 -0.308 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.693 7.218 -2.555 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.376 6.647 -1.584 1.00 0.00 C ATOM 436 CZ PHE A 31 0.362 6.966 -2.680 1.00 0.00 C ATOM 0 H PHE A 31 4.720 7.445 1.099 1.00 0.00 H new ATOM 0 HA PHE A 31 2.158 8.920 1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.042 6.013 1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.510 6.390 1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.368 7.345 -1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.345 6.323 0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.279 7.473 -3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.433 6.448 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.109 7.019 -3.651 1.00 0.00 H new ATOM 446 N PHE A 32 1.994 8.628 3.884 1.00 0.00 N ATOM 447 CA PHE A 32 2.008 8.657 5.337 1.00 0.00 C ATOM 448 C PHE A 32 0.799 7.915 5.911 1.00 0.00 C ATOM 449 O PHE A 32 -0.308 8.451 5.937 1.00 0.00 O ATOM 450 CB PHE A 32 1.936 10.126 5.756 1.00 0.00 C ATOM 451 CG PHE A 32 3.286 10.845 5.739 1.00 0.00 C ATOM 452 CD1 PHE A 32 4.073 10.788 4.632 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.699 11.542 6.832 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.327 11.455 4.616 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.953 12.209 6.816 1.00 0.00 C ATOM 456 CZ PHE A 32 5.740 12.151 5.709 1.00 0.00 C ATOM 0 H PHE A 32 1.195 9.096 3.455 1.00 0.00 H new ATOM 0 HA PHE A 32 2.910 8.172 5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.249 10.649 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.516 10.187 6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.745 10.235 3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.074 11.588 7.711 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.952 11.409 3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.281 12.762 7.683 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.694 12.658 5.698 1.00 0.00 H new ATOM 466 N LEU A 33 1.052 6.694 6.358 1.00 0.00 N ATOM 467 CA LEU A 33 -0.002 5.873 6.931 1.00 0.00 C ATOM 468 C LEU A 33 0.518 5.198 8.202 1.00 0.00 C ATOM 469 O LEU A 33 1.723 5.172 8.447 1.00 0.00 O ATOM 470 CB LEU A 33 -0.541 4.891 5.889 1.00 0.00 C ATOM 471 CG LEU A 33 0.460 3.866 5.351 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.677 4.560 4.736 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.858 2.866 6.438 1.00 0.00 C ATOM 0 H LEU A 33 1.971 6.253 6.335 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.851 6.491 7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.382 4.353 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.932 5.463 5.048 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.024 3.300 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.373 3.810 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.355 5.199 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.172 5.167 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.570 2.149 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.317 3.398 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.029 2.338 6.789 1.00 0.00 H new ATOM 485 N ALA A 34 -0.418 4.668 8.976 1.00 0.00 N ATOM 486 CA ALA A 34 -0.070 3.994 10.216 1.00 0.00 C ATOM 487 C ALA A 34 1.123 3.068 9.970 1.00 0.00 C ATOM 488 O ALA A 34 1.200 2.410 8.934 1.00 0.00 O ATOM 489 CB ALA A 34 -1.291 3.242 10.749 1.00 0.00 C ATOM 0 H ALA A 34 -1.416 4.692 8.769 1.00 0.00 H new ATOM 0 HA ALA A 34 0.225 4.717 10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.030 2.737 11.679 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.101 3.948 10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.614 2.505 10.014 1.00 0.00 H new ATOM 495 N GLU A 35 2.024 3.047 10.941 1.00 0.00 N ATOM 496 CA GLU A 35 3.210 2.213 10.844 1.00 0.00 C ATOM 497 C GLU A 35 2.851 0.748 11.099 1.00 0.00 C ATOM 498 O GLU A 35 3.594 -0.154 10.715 1.00 0.00 O ATOM 499 CB GLU A 35 4.296 2.688 11.811 1.00 0.00 C ATOM 500 CG GLU A 35 3.763 2.755 13.244 1.00 0.00 C ATOM 501 CD GLU A 35 4.828 2.307 14.247 1.00 0.00 C ATOM 502 OE1 GLU A 35 6.016 2.584 13.975 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.429 1.697 15.263 1.00 0.00 O ATOM 0 H GLU A 35 1.957 3.594 11.799 1.00 0.00 H new ATOM 0 HA GLU A 35 3.608 2.299 9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.148 2.010 11.768 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.655 3.671 11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.450 3.774 13.472 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.881 2.122 13.338 1.00 0.00 H new ATOM 510 N ASN A 36 1.710 0.556 11.747 1.00 0.00 N ATOM 511 CA ASN A 36 1.244 -0.785 12.058 1.00 0.00 C ATOM 512 C ASN A 36 -0.004 -1.091 11.227 1.00 0.00 C ATOM 513 O ASN A 36 -0.788 -1.971 11.579 1.00 0.00 O ATOM 514 CB ASN A 36 0.868 -0.908 13.536 1.00 0.00 C ATOM 515 CG ASN A 36 1.727 0.020 14.399 1.00 0.00 C ATOM 516 OD1 ASN A 36 2.933 0.118 14.240 1.00 0.00 O ATOM 517 ND2 ASN A 36 1.041 0.692 15.318 1.00 0.00 N ATOM 0 H ASN A 36 1.096 1.306 12.065 1.00 0.00 H new ATOM 0 HA ASN A 36 2.049 -1.483 11.831 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.186 -0.662 13.669 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.998 -1.939 13.864 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.523 1.337 15.944 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.032 0.563 15.397 1.00 0.00 H new ATOM 524 N SER A 37 -0.148 -0.349 10.139 1.00 0.00 N ATOM 525 CA SER A 37 -1.287 -0.531 9.255 1.00 0.00 C ATOM 526 C SER A 37 -1.021 -1.688 8.290 1.00 0.00 C ATOM 527 O SER A 37 -0.152 -1.591 7.424 1.00 0.00 O ATOM 528 CB SER A 37 -1.590 0.751 8.476 1.00 0.00 C ATOM 529 OG SER A 37 -2.588 1.541 9.116 1.00 0.00 O ATOM 0 H SER A 37 0.505 0.379 9.849 1.00 0.00 H new ATOM 0 HA SER A 37 -2.159 -0.768 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.676 1.336 8.371 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.921 0.494 7.470 1.00 0.00 H new ATOM 0 HG SER A 37 -2.606 2.434 8.714 1.00 0.00 H new ATOM 535 N ASN A 38 -1.784 -2.755 8.471 1.00 0.00 N ATOM 536 CA ASN A 38 -1.642 -3.930 7.628 1.00 0.00 C ATOM 537 C ASN A 38 -1.358 -3.488 6.190 1.00 0.00 C ATOM 538 O ASN A 38 -1.814 -2.430 5.761 1.00 0.00 O ATOM 539 CB ASN A 38 -2.925 -4.763 7.622 1.00 0.00 C ATOM 540 CG ASN A 38 -4.162 -3.863 7.616 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.397 -3.081 8.522 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.939 -4.018 6.548 1.00 0.00 N ATOM 0 H ASN A 38 -2.504 -2.831 9.190 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.824 -4.532 8.023 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.938 -5.411 6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.946 -5.411 8.498 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.790 -3.464 6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.684 -4.691 5.825 1.00 0.00 H new ATOM 549 N VAL A 39 -0.606 -4.321 5.487 1.00 0.00 N ATOM 550 CA VAL A 39 -0.256 -4.030 4.107 1.00 0.00 C ATOM 551 C VAL A 39 -1.512 -3.602 3.346 1.00 0.00 C ATOM 552 O VAL A 39 -1.501 -2.596 2.639 1.00 0.00 O ATOM 553 CB VAL A 39 0.442 -5.238 3.478 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.431 -5.144 1.951 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.870 -5.384 4.008 1.00 0.00 C ATOM 0 H VAL A 39 -0.229 -5.198 5.847 1.00 0.00 H new ATOM 0 HA VAL A 39 0.451 -3.202 4.059 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.114 -6.131 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.933 -6.015 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.599 -5.112 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.951 -4.238 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.343 -6.250 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.441 -4.487 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.845 -5.519 5.089 1.00 0.00 H new ATOM 565 N ARG A 40 -2.565 -4.388 3.517 1.00 0.00 N ATOM 566 CA ARG A 40 -3.827 -4.103 2.855 1.00 0.00 C ATOM 567 C ARG A 40 -4.124 -2.603 2.903 1.00 0.00 C ATOM 568 O ARG A 40 -4.240 -1.957 1.863 1.00 0.00 O ATOM 569 CB ARG A 40 -4.979 -4.866 3.513 1.00 0.00 C ATOM 570 CG ARG A 40 -5.906 -5.475 2.460 1.00 0.00 C ATOM 571 CD ARG A 40 -7.363 -5.439 2.925 1.00 0.00 C ATOM 572 NE ARG A 40 -8.117 -6.557 2.314 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.345 -6.933 2.697 1.00 0.00 C ATOM 574 NH1 ARG A 40 -9.964 -6.284 3.692 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.953 -7.958 2.086 1.00 0.00 N ATOM 0 H ARG A 40 -2.570 -5.222 4.104 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.738 -4.426 1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.580 -5.655 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.546 -4.192 4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.806 -4.928 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.609 -6.505 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.408 -5.510 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.818 -4.488 2.648 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.674 -7.073 1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.501 -5.504 4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.899 -6.570 3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.481 -8.453 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.888 -8.244 2.378 1.00 0.00 H new ATOM 589 N ARG A 41 -4.240 -2.094 4.120 1.00 0.00 N ATOM 590 CA ARG A 41 -4.521 -0.682 4.317 1.00 0.00 C ATOM 591 C ARG A 41 -3.585 0.171 3.458 1.00 0.00 C ATOM 592 O ARG A 41 -4.040 1.024 2.697 1.00 0.00 O ATOM 593 CB ARG A 41 -4.356 -0.287 5.786 1.00 0.00 C ATOM 594 CG ARG A 41 -5.564 -0.733 6.613 1.00 0.00 C ATOM 595 CD ARG A 41 -5.952 0.336 7.637 1.00 0.00 C ATOM 596 NE ARG A 41 -7.179 -0.074 8.355 1.00 0.00 N ATOM 597 CZ ARG A 41 -7.828 0.700 9.236 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.370 1.928 9.513 1.00 0.00 N ATOM 599 NH2 ARG A 41 -8.935 0.246 9.840 1.00 0.00 N ATOM 0 H ARG A 41 -4.145 -2.634 4.980 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.554 -0.505 4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.449 -0.738 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.236 0.794 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.408 -0.932 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.333 -1.667 7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.138 0.485 8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.116 1.290 7.135 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.554 -1.004 8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.528 2.274 9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.864 2.517 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.284 -0.689 9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.428 0.835 10.510 1.00 0.00 H new ATOM 613 N PHE A 42 -2.295 -0.089 3.609 1.00 0.00 N ATOM 614 CA PHE A 42 -1.291 0.644 2.857 1.00 0.00 C ATOM 615 C PHE A 42 -1.623 0.653 1.363 1.00 0.00 C ATOM 616 O PHE A 42 -1.396 1.650 0.679 1.00 0.00 O ATOM 617 CB PHE A 42 0.041 -0.078 3.067 1.00 0.00 C ATOM 618 CG PHE A 42 1.263 0.726 2.617 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.106 1.987 2.132 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.506 0.179 2.702 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.240 2.733 1.714 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.639 0.925 2.284 1.00 0.00 C ATOM 623 CZ PHE A 42 3.483 2.186 1.799 1.00 0.00 C ATOM 0 H PHE A 42 -1.922 -0.797 4.241 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.251 1.678 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.148 -0.321 4.124 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.020 -1.023 2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.119 2.421 2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.630 -0.822 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.116 3.734 1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.626 0.491 2.351 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.346 2.753 1.481 1.00 0.00 H new ATOM 633 N LYS A 43 -2.154 -0.469 0.901 1.00 0.00 N ATOM 634 CA LYS A 43 -2.519 -0.603 -0.499 1.00 0.00 C ATOM 635 C LYS A 43 -3.706 0.314 -0.802 1.00 0.00 C ATOM 636 O LYS A 43 -3.714 1.009 -1.817 1.00 0.00 O ATOM 637 CB LYS A 43 -2.772 -2.071 -0.848 1.00 0.00 C ATOM 638 CG LYS A 43 -1.463 -2.862 -0.873 1.00 0.00 C ATOM 639 CD LYS A 43 -1.732 -4.368 -0.888 1.00 0.00 C ATOM 640 CE LYS A 43 -0.693 -5.103 -1.738 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.082 -6.519 -1.924 1.00 0.00 N ATOM 0 H LYS A 43 -2.340 -1.294 1.471 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.697 -0.284 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.452 -2.510 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.260 -2.138 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.883 -2.584 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.862 -2.605 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.713 -4.755 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.730 -4.559 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.598 -4.616 -2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.283 -5.048 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.272 -7.133 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.872 -6.749 -1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.376 -6.672 -2.910 1.00 0.00 H new ATOM 655 N LYS A 44 -4.679 0.286 0.097 1.00 0.00 N ATOM 656 CA LYS A 44 -5.868 1.107 -0.062 1.00 0.00 C ATOM 657 C LYS A 44 -5.451 2.542 -0.388 1.00 0.00 C ATOM 658 O LYS A 44 -5.939 3.130 -1.353 1.00 0.00 O ATOM 659 CB LYS A 44 -6.766 0.993 1.171 1.00 0.00 C ATOM 660 CG LYS A 44 -7.116 -0.469 1.461 1.00 0.00 C ATOM 661 CD LYS A 44 -8.541 -0.791 1.008 1.00 0.00 C ATOM 662 CE LYS A 44 -8.887 -2.255 1.288 1.00 0.00 C ATOM 663 NZ LYS A 44 -9.846 -2.356 2.411 1.00 0.00 N ATOM 0 H LYS A 44 -4.669 -0.292 0.937 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.468 0.751 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.262 1.428 2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.680 1.565 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.411 -1.124 0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.017 -0.666 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.247 -0.141 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.643 -0.587 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.315 -2.711 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.980 -2.810 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.070 -3.356 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.425 -1.939 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.718 -1.843 2.170 1.00 0.00 H new ATOM 677 N GLN A 45 -4.554 3.066 0.434 1.00 0.00 N ATOM 678 CA GLN A 45 -4.066 4.421 0.244 1.00 0.00 C ATOM 679 C GLN A 45 -3.608 4.624 -1.201 1.00 0.00 C ATOM 680 O GLN A 45 -3.977 5.606 -1.842 1.00 0.00 O ATOM 681 CB GLN A 45 -2.938 4.741 1.227 1.00 0.00 C ATOM 682 CG GLN A 45 -3.270 5.982 2.058 1.00 0.00 C ATOM 683 CD GLN A 45 -2.261 7.102 1.798 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.318 7.805 0.803 1.00 0.00 O ATOM 685 NE2 GLN A 45 -1.336 7.228 2.746 1.00 0.00 N ATOM 0 H GLN A 45 -4.152 2.576 1.234 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.885 5.112 0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.774 3.890 1.888 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.009 4.903 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.274 6.329 1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.269 5.726 3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.346 6.606 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.617 7.947 2.665 1.00 0.00 H new ATOM 694 N ILE A 46 -2.809 3.677 -1.673 1.00 0.00 N ATOM 695 CA ILE A 46 -2.296 3.739 -3.031 1.00 0.00 C ATOM 696 C ILE A 46 -3.469 3.770 -4.013 1.00 0.00 C ATOM 697 O ILE A 46 -3.595 4.702 -4.806 1.00 0.00 O ATOM 698 CB ILE A 46 -1.312 2.596 -3.284 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.181 2.607 -2.254 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.781 2.637 -4.719 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.349 1.193 -2.005 1.00 0.00 C ATOM 0 H ILE A 46 -2.505 2.863 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.728 4.657 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.846 1.653 -3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.629 3.246 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.541 3.034 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.083 1.814 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.613 2.543 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.268 3.584 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.152 1.230 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.458 0.563 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.731 0.778 -2.938 1.00 0.00 H new ATOM 713 N SER A 47 -4.297 2.740 -3.929 1.00 0.00 N ATOM 714 CA SER A 47 -5.455 2.637 -4.801 1.00 0.00 C ATOM 715 C SER A 47 -6.176 3.985 -4.875 1.00 0.00 C ATOM 716 O SER A 47 -6.652 4.381 -5.937 1.00 0.00 O ATOM 717 CB SER A 47 -6.415 1.549 -4.316 1.00 0.00 C ATOM 718 OG SER A 47 -7.278 2.018 -3.284 1.00 0.00 O ATOM 0 H SER A 47 -4.189 1.969 -3.270 1.00 0.00 H new ATOM 0 HA SER A 47 -5.109 2.361 -5.797 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.013 1.194 -5.155 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.842 0.697 -3.950 1.00 0.00 H new ATOM 0 HG SER A 47 -6.750 2.223 -2.484 1.00 0.00 H new ATOM 724 N LYS A 48 -6.232 4.653 -3.732 1.00 0.00 N ATOM 725 CA LYS A 48 -6.886 5.948 -3.654 1.00 0.00 C ATOM 726 C LYS A 48 -6.237 6.904 -4.657 1.00 0.00 C ATOM 727 O LYS A 48 -6.864 7.299 -5.639 1.00 0.00 O ATOM 728 CB LYS A 48 -6.876 6.468 -2.215 1.00 0.00 C ATOM 729 CG LYS A 48 -7.432 5.420 -1.249 1.00 0.00 C ATOM 730 CD LYS A 48 -8.667 5.949 -0.518 1.00 0.00 C ATOM 731 CE LYS A 48 -8.284 7.037 0.488 1.00 0.00 C ATOM 732 NZ LYS A 48 -9.495 7.610 1.117 1.00 0.00 N ATOM 0 H LYS A 48 -5.835 4.322 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.937 5.861 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.858 6.730 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.470 7.379 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.690 4.515 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.666 5.146 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.378 6.350 -1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.167 5.130 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.632 6.619 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.721 7.824 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.218 8.347 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.103 8.027 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.017 6.860 1.613 1.00 0.00 H new ATOM 746 N TYR A 49 -4.989 7.248 -4.376 1.00 0.00 N ATOM 747 CA TYR A 49 -4.248 8.150 -5.242 1.00 0.00 C ATOM 748 C TYR A 49 -4.054 7.540 -6.632 1.00 0.00 C ATOM 749 O TYR A 49 -4.619 8.024 -7.611 1.00 0.00 O ATOM 750 CB TYR A 49 -2.879 8.337 -4.584 1.00 0.00 C ATOM 751 CG TYR A 49 -1.919 9.218 -5.385 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.175 10.567 -5.526 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.797 8.665 -5.967 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.272 11.397 -6.280 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.107 9.494 -6.721 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.175 10.819 -6.840 1.00 0.00 C ATOM 757 OH TYR A 49 0.678 11.603 -7.552 1.00 0.00 O ATOM 0 H TYR A 49 -4.472 6.919 -3.561 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.784 9.091 -5.365 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.019 8.775 -3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.421 7.359 -4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.053 11.000 -5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.597 7.609 -5.857 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.461 12.454 -6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.989 9.073 -7.181 1.00 0.00 H new ATOM 0 HH TYR A 49 1.387 11.935 -6.962 1.00 0.00 H new ATOM 767 N LEU A 50 -3.253 6.485 -6.673 1.00 0.00 N ATOM 768 CA LEU A 50 -2.977 5.804 -7.927 1.00 0.00 C ATOM 769 C LEU A 50 -4.261 5.730 -8.755 1.00 0.00 C ATOM 770 O LEU A 50 -4.266 6.087 -9.932 1.00 0.00 O ATOM 771 CB LEU A 50 -2.334 4.440 -7.665 1.00 0.00 C ATOM 772 CG LEU A 50 -0.810 4.382 -7.791 1.00 0.00 C ATOM 773 CD1 LEU A 50 -0.135 4.916 -6.526 1.00 0.00 C ATOM 774 CD2 LEU A 50 -0.343 2.967 -8.137 1.00 0.00 C ATOM 0 H LEU A 50 -2.787 6.085 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.251 6.366 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.608 4.118 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.764 3.718 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.509 5.030 -8.614 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.948 4.864 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.433 5.952 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.438 4.313 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.744 2.953 -8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.655 2.279 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.784 2.660 -9.085 1.00 0.00 H new ATOM 786 N HIS A 51 -5.319 5.263 -8.108 1.00 0.00 N ATOM 787 CA HIS A 51 -6.606 5.137 -8.770 1.00 0.00 C ATOM 788 C HIS A 51 -6.701 3.771 -9.452 1.00 0.00 C ATOM 789 O HIS A 51 -7.397 3.621 -10.455 1.00 0.00 O ATOM 790 CB HIS A 51 -6.835 6.300 -9.738 1.00 0.00 C ATOM 791 CG HIS A 51 -6.547 5.964 -11.181 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.715 5.033 -11.730 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -7.149 6.622 -12.239 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -5.805 5.118 -13.052 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -6.693 6.103 -13.369 1.00 0.00 N flip ATOM 0 H HIS A 51 -5.311 4.967 -7.132 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.406 5.192 -8.031 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.870 6.632 -9.653 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.206 7.138 -9.438 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.869 7.423 -12.157 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.264 4.507 -13.760 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.959 6.390 -14.311 1.00 0.00 H new ATOM 803 N CYS A 52 -5.992 2.809 -8.880 1.00 0.00 N ATOM 804 CA CYS A 52 -5.987 1.460 -9.420 1.00 0.00 C ATOM 805 C CYS A 52 -6.731 0.549 -8.442 1.00 0.00 C ATOM 806 O CYS A 52 -7.334 1.024 -7.481 1.00 0.00 O ATOM 807 CB CYS A 52 -4.565 0.965 -9.693 1.00 0.00 C ATOM 808 SG CYS A 52 -3.515 1.235 -8.219 1.00 0.00 S ATOM 0 H CYS A 52 -5.417 2.937 -8.048 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.496 1.449 -10.384 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.583 -0.095 -9.948 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.146 1.492 -10.550 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.263 1.218 -8.569 1.00 0.00 H new ATOM 814 N ASN A 53 -6.665 -0.745 -8.722 1.00 0.00 N ATOM 815 CA ASN A 53 -7.325 -1.727 -7.879 1.00 0.00 C ATOM 816 C ASN A 53 -6.304 -2.333 -6.914 1.00 0.00 C ATOM 817 O ASN A 53 -5.243 -2.793 -7.335 1.00 0.00 O ATOM 818 CB ASN A 53 -7.916 -2.863 -8.716 1.00 0.00 C ATOM 819 CG ASN A 53 -9.415 -2.656 -8.940 1.00 0.00 C ATOM 820 OD1 ASN A 53 -9.897 -2.580 -10.058 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.123 -2.569 -7.817 1.00 0.00 N ATOM 0 H ASN A 53 -6.165 -1.135 -9.521 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.126 -1.223 -7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.405 -2.915 -9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.748 -3.815 -8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.133 -2.430 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.656 -2.641 -6.913 1.00 0.00 H new ATOM 828 N ALA A 54 -6.659 -2.314 -5.638 1.00 0.00 N ATOM 829 CA ALA A 54 -5.787 -2.856 -4.610 1.00 0.00 C ATOM 830 C ALA A 54 -5.574 -4.350 -4.863 1.00 0.00 C ATOM 831 O ALA A 54 -4.486 -4.874 -4.629 1.00 0.00 O ATOM 832 CB ALA A 54 -6.389 -2.579 -3.231 1.00 0.00 C ATOM 0 H ALA A 54 -7.539 -1.932 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.810 -2.373 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.735 -2.986 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.493 -1.503 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.369 -3.050 -3.161 1.00 0.00 H new ATOM 838 N ASP A 55 -6.630 -4.994 -5.338 1.00 0.00 N ATOM 839 CA ASP A 55 -6.573 -6.417 -5.625 1.00 0.00 C ATOM 840 C ASP A 55 -5.473 -6.680 -6.656 1.00 0.00 C ATOM 841 O ASP A 55 -5.032 -7.816 -6.822 1.00 0.00 O ATOM 842 CB ASP A 55 -7.896 -6.915 -6.209 1.00 0.00 C ATOM 843 CG ASP A 55 -8.520 -6.004 -7.268 1.00 0.00 C ATOM 844 OD1 ASP A 55 -9.128 -4.991 -6.858 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.374 -6.340 -8.463 1.00 0.00 O ATOM 0 H ASP A 55 -7.531 -4.556 -5.531 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.371 -6.942 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.734 -7.899 -6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.610 -7.043 -5.395 1.00 0.00 H new ATOM 850 N ARG A 56 -5.062 -5.611 -7.322 1.00 0.00 N ATOM 851 CA ARG A 56 -4.022 -5.712 -8.332 1.00 0.00 C ATOM 852 C ARG A 56 -2.735 -5.049 -7.837 1.00 0.00 C ATOM 853 O ARG A 56 -1.772 -4.914 -8.591 1.00 0.00 O ATOM 854 CB ARG A 56 -4.458 -5.051 -9.640 1.00 0.00 C ATOM 855 CG ARG A 56 -5.740 -5.690 -10.177 1.00 0.00 C ATOM 856 CD ARG A 56 -5.427 -6.954 -10.981 1.00 0.00 C ATOM 857 NE ARG A 56 -6.234 -6.977 -12.222 1.00 0.00 N ATOM 858 CZ ARG A 56 -7.545 -7.253 -12.260 1.00 0.00 C ATOM 859 NH1 ARG A 56 -8.204 -7.531 -11.127 1.00 0.00 N ATOM 860 NH2 ARG A 56 -8.196 -7.251 -13.431 1.00 0.00 N ATOM 0 H ARG A 56 -5.430 -4.670 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.841 -6.771 -8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.619 -3.985 -9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.664 -5.143 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.403 -5.937 -9.348 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.270 -4.976 -10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.366 -6.985 -11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.641 -7.839 -10.382 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.763 -6.770 -13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.708 -7.533 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.202 -7.741 -11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.694 -7.039 -14.293 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.194 -7.461 -13.460 1.00 0.00 H new ATOM 874 N LEU A 57 -2.760 -4.652 -6.573 1.00 0.00 N ATOM 875 CA LEU A 57 -1.607 -4.005 -5.969 1.00 0.00 C ATOM 876 C LEU A 57 -0.838 -5.026 -5.128 1.00 0.00 C ATOM 877 O LEU A 57 -1.441 -5.859 -4.452 1.00 0.00 O ATOM 878 CB LEU A 57 -2.038 -2.764 -5.186 1.00 0.00 C ATOM 879 CG LEU A 57 -2.465 -1.557 -6.025 1.00 0.00 C ATOM 880 CD1 LEU A 57 -2.958 -0.416 -5.132 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.337 -1.110 -6.956 1.00 0.00 C ATOM 0 H LEU A 57 -3.560 -4.766 -5.951 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.924 -3.646 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.867 -3.040 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.213 -2.460 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.302 -1.857 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.255 0.429 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.813 -0.755 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.157 -0.108 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.667 -0.251 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.465 -0.833 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.075 -1.927 -7.628 1.00 0.00 H new ATOM 893 N VAL A 58 0.481 -4.928 -5.196 1.00 0.00 N ATOM 894 CA VAL A 58 1.339 -5.832 -4.449 1.00 0.00 C ATOM 895 C VAL A 58 2.376 -5.019 -3.671 1.00 0.00 C ATOM 896 O VAL A 58 2.987 -4.102 -4.217 1.00 0.00 O ATOM 897 CB VAL A 58 1.969 -6.856 -5.395 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.680 -7.962 -4.611 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.923 -7.443 -6.344 1.00 0.00 C ATOM 0 H VAL A 58 0.977 -4.236 -5.757 1.00 0.00 H new ATOM 0 HA VAL A 58 0.757 -6.397 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 58 2.716 -6.339 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.119 -8.677 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.466 -7.524 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.961 -8.474 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.398 -8.168 -7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.143 -7.937 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.482 -6.643 -6.939 1.00 0.00 H new ATOM 909 N LEU A 59 2.541 -5.385 -2.409 1.00 0.00 N ATOM 910 CA LEU A 59 3.493 -4.701 -1.550 1.00 0.00 C ATOM 911 C LEU A 59 4.832 -5.442 -1.588 1.00 0.00 C ATOM 912 O LEU A 59 4.880 -6.654 -1.384 1.00 0.00 O ATOM 913 CB LEU A 59 2.922 -4.536 -0.141 1.00 0.00 C ATOM 914 CG LEU A 59 2.845 -3.103 0.389 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.243 -2.539 0.650 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.035 -2.212 -0.556 1.00 0.00 C ATOM 0 H LEU A 59 2.032 -6.146 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 59 3.677 -3.690 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.919 -4.962 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.529 -5.124 0.547 1.00 0.00 H new ATOM 0 HG LEU A 59 2.321 -3.120 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.160 -1.519 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.753 -3.158 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.814 -2.538 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.996 -1.199 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.509 -2.197 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.023 -2.605 -0.648 1.00 0.00 H new ATOM 928 N ILE A 60 5.885 -4.682 -1.852 1.00 0.00 N ATOM 929 CA ILE A 60 7.220 -5.252 -1.919 1.00 0.00 C ATOM 930 C ILE A 60 8.207 -4.308 -1.230 1.00 0.00 C ATOM 931 O ILE A 60 8.539 -3.252 -1.766 1.00 0.00 O ATOM 932 CB ILE A 60 7.590 -5.578 -3.367 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.586 -6.555 -3.983 1.00 0.00 C ATOM 934 CG2 ILE A 60 9.027 -6.097 -3.462 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.585 -5.821 -4.877 1.00 0.00 C ATOM 0 H ILE A 60 5.841 -3.677 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 60 7.258 -6.200 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 60 7.541 -4.657 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.116 -7.308 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.054 -7.082 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.265 -6.321 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.714 -5.337 -3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.127 -7.002 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.883 -6.538 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.039 -5.086 -4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.119 -5.315 -5.682 1.00 0.00 H new ATOM 947 N PHE A 61 8.649 -4.723 -0.052 1.00 0.00 N ATOM 948 CA PHE A 61 9.592 -3.928 0.716 1.00 0.00 C ATOM 949 C PHE A 61 10.976 -4.581 0.731 1.00 0.00 C ATOM 950 O PHE A 61 11.091 -5.798 0.867 1.00 0.00 O ATOM 951 CB PHE A 61 9.058 -3.861 2.148 1.00 0.00 C ATOM 952 CG PHE A 61 10.110 -3.467 3.187 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.427 -2.157 3.371 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.729 -4.426 3.926 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.404 -1.791 4.335 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.705 -4.061 4.890 1.00 0.00 C ATOM 957 CZ PHE A 61 12.022 -2.751 5.074 1.00 0.00 C ATOM 0 H PHE A 61 8.371 -5.600 0.389 1.00 0.00 H new ATOM 0 HA PHE A 61 9.692 -2.938 0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.238 -3.144 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.644 -4.833 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.936 -1.395 2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.478 -5.466 3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.656 -0.751 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.196 -4.823 5.477 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.765 -2.473 5.807 1.00 0.00 H new ATOM 967 N THR A 62 11.992 -3.743 0.588 1.00 0.00 N ATOM 968 CA THR A 62 13.363 -4.223 0.583 1.00 0.00 C ATOM 969 C THR A 62 13.531 -5.348 -0.440 1.00 0.00 C ATOM 970 O THR A 62 14.449 -6.160 -0.331 1.00 0.00 O ATOM 971 CB THR A 62 13.723 -4.641 2.010 1.00 0.00 C ATOM 972 OG1 THR A 62 15.133 -4.841 1.968 1.00 0.00 O ATOM 973 CG2 THR A 62 13.162 -6.016 2.377 1.00 0.00 C ATOM 0 H THR A 62 11.893 -2.734 0.475 1.00 0.00 H new ATOM 0 HA THR A 62 14.055 -3.439 0.274 1.00 0.00 H new ATOM 0 HB THR A 62 13.346 -3.897 2.712 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.358 -5.426 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.447 -6.264 3.400 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.075 -5.999 2.297 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.564 -6.766 1.696 1.00 0.00 H new ATOM 981 N GLY A 63 12.629 -5.361 -1.411 1.00 0.00 N ATOM 982 CA GLY A 63 12.665 -6.373 -2.453 1.00 0.00 C ATOM 983 C GLY A 63 11.955 -7.651 -2.000 1.00 0.00 C ATOM 984 O GLY A 63 11.863 -8.616 -2.758 1.00 0.00 O ATOM 0 H GLY A 63 11.869 -4.687 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.189 -5.988 -3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.700 -6.599 -2.710 1.00 0.00 H new ATOM 988 N LYS A 64 11.472 -7.617 -0.767 1.00 0.00 N ATOM 989 CA LYS A 64 10.774 -8.760 -0.204 1.00 0.00 C ATOM 990 C LYS A 64 9.271 -8.474 -0.184 1.00 0.00 C ATOM 991 O LYS A 64 8.826 -7.517 0.447 1.00 0.00 O ATOM 992 CB LYS A 64 11.351 -9.119 1.167 1.00 0.00 C ATOM 993 CG LYS A 64 12.629 -9.948 1.024 1.00 0.00 C ATOM 994 CD LYS A 64 12.311 -11.445 1.001 1.00 0.00 C ATOM 995 CE LYS A 64 13.398 -12.225 0.258 1.00 0.00 C ATOM 996 NZ LYS A 64 13.132 -13.679 0.328 1.00 0.00 N ATOM 0 H LYS A 64 11.550 -6.815 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 64 10.923 -9.642 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.565 -8.208 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.613 -9.679 1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.148 -9.668 0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.304 -9.728 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.224 -11.818 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.347 -11.608 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.435 -11.906 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.373 -12.006 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.879 -14.193 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.119 -13.982 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.211 -13.885 -0.108 1.00 0.00 H new ATOM 1010 N ILE A 65 8.530 -9.323 -0.881 1.00 0.00 N ATOM 1011 CA ILE A 65 7.087 -9.174 -0.951 1.00 0.00 C ATOM 1012 C ILE A 65 6.490 -9.372 0.444 1.00 0.00 C ATOM 1013 O ILE A 65 7.081 -10.048 1.286 1.00 0.00 O ATOM 1014 CB ILE A 65 6.501 -10.111 -2.009 1.00 0.00 C ATOM 1015 CG1 ILE A 65 7.070 -9.797 -3.394 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.972 -10.068 -1.994 1.00 0.00 C ATOM 1017 CD1 ILE A 65 8.001 -10.913 -3.871 1.00 0.00 C ATOM 0 H ILE A 65 8.903 -10.117 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 65 6.824 -8.166 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 65 6.796 -11.131 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.254 -9.670 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.615 -8.853 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.582 -10.743 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.609 -10.378 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.635 -9.053 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.391 -10.664 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.829 -11.021 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.447 -11.850 -3.926 1.00 0.00 H new ATOM 1029 N LEU A 66 5.326 -8.772 0.646 1.00 0.00 N ATOM 1030 CA LEU A 66 4.643 -8.874 1.925 1.00 0.00 C ATOM 1031 C LEU A 66 3.269 -9.512 1.714 1.00 0.00 C ATOM 1032 O LEU A 66 3.037 -10.176 0.705 1.00 0.00 O ATOM 1033 CB LEU A 66 4.589 -7.509 2.614 1.00 0.00 C ATOM 1034 CG LEU A 66 5.845 -6.644 2.489 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.524 -5.171 2.752 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.959 -7.160 3.401 1.00 0.00 C ATOM 0 H LEU A 66 4.838 -8.213 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 66 5.196 -9.525 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.746 -6.951 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.384 -7.667 3.673 1.00 0.00 H new ATOM 0 HG LEU A 66 6.209 -6.716 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.434 -4.578 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.787 -4.824 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.122 -5.060 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.840 -6.527 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.621 -7.137 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.211 -8.184 3.124 1.00 0.00 H new ATOM 1048 N ARG A 67 2.393 -9.287 2.682 1.00 0.00 N ATOM 1049 CA ARG A 67 1.047 -9.831 2.615 1.00 0.00 C ATOM 1050 C ARG A 67 0.044 -8.841 3.210 1.00 0.00 C ATOM 1051 O ARG A 67 0.308 -8.230 4.244 1.00 0.00 O ATOM 1052 CB ARG A 67 0.952 -11.159 3.370 1.00 0.00 C ATOM 1053 CG ARG A 67 1.608 -12.290 2.575 1.00 0.00 C ATOM 1054 CD ARG A 67 0.574 -13.038 1.731 1.00 0.00 C ATOM 1055 NE ARG A 67 1.023 -14.428 1.496 1.00 0.00 N ATOM 1056 CZ ARG A 67 0.393 -15.296 0.692 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -0.716 -14.921 0.040 1.00 0.00 N ATOM 1058 NH2 ARG A 67 0.873 -16.537 0.539 1.00 0.00 N ATOM 0 H ARG A 67 2.589 -8.735 3.517 1.00 0.00 H new ATOM 0 HA ARG A 67 0.811 -10.005 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.436 -11.064 4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.094 -11.401 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.384 -11.882 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.096 -12.985 3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.390 -13.040 2.239 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.431 -12.527 0.779 1.00 0.00 H new ATOM 0 HE ARG A 67 1.865 -14.746 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.080 -13.975 0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.196 -15.581 -0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.718 -16.822 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.394 -17.197 -0.073 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.087 -8.714 2.531 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.131 -7.809 2.980 1.00 0.00 C ATOM 1074 C ASP A 68 -2.453 -8.095 4.448 1.00 0.00 C ATOM 1075 O ASP A 68 -2.987 -7.237 5.149 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.414 -8.003 2.169 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.289 -8.958 0.980 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -2.769 -10.073 1.200 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -3.717 -8.551 -0.122 1.00 0.00 O ATOM 0 H ASP A 68 -1.303 -9.223 1.674 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.771 -6.789 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.194 -8.375 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.745 -7.031 1.802 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.113 -9.304 4.870 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.359 -9.714 6.242 1.00 0.00 C ATOM 1086 C GLN A 69 -1.176 -9.327 7.132 1.00 0.00 C ATOM 1087 O GLN A 69 -1.339 -9.123 8.334 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.637 -11.216 6.324 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.333 -12.014 6.380 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.608 -13.518 6.337 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.107 -14.111 7.280 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.254 -14.101 5.195 1.00 0.00 N ATOM 0 H GLN A 69 -1.669 -10.013 4.286 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.246 -9.193 6.602 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.237 -11.430 7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.222 -11.529 5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.695 -11.733 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.790 -11.766 7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.841 -13.546 4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.395 -15.103 5.069 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.011 -9.237 6.507 1.00 0.00 N ATOM 1102 CA ASP A 70 1.199 -8.877 7.227 1.00 0.00 C ATOM 1103 C ASP A 70 1.223 -7.364 7.451 1.00 0.00 C ATOM 1104 O ASP A 70 0.750 -6.601 6.610 1.00 0.00 O ATOM 1105 CB ASP A 70 2.448 -9.257 6.429 1.00 0.00 C ATOM 1106 CG ASP A 70 2.725 -10.759 6.338 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.959 -11.517 6.972 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.696 -11.116 5.636 1.00 0.00 O ATOM 0 H ASP A 70 0.121 -9.407 5.510 1.00 0.00 H new ATOM 0 HA ASP A 70 1.200 -9.414 8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.351 -8.859 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.312 -8.770 6.881 1.00 0.00 H new ATOM 1113 N ILE A 71 1.780 -6.975 8.588 1.00 0.00 N ATOM 1114 CA ILE A 71 1.872 -5.566 8.933 1.00 0.00 C ATOM 1115 C ILE A 71 3.202 -5.007 8.423 1.00 0.00 C ATOM 1116 O ILE A 71 4.119 -5.764 8.111 1.00 0.00 O ATOM 1117 CB ILE A 71 1.657 -5.367 10.435 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.183 -5.541 10.806 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.209 -4.016 10.893 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.308 -6.947 10.456 1.00 0.00 C ATOM 0 H ILE A 71 2.172 -7.611 9.283 1.00 0.00 H new ATOM 0 HA ILE A 71 1.079 -5.001 8.443 1.00 0.00 H new ATOM 0 HB ILE A 71 2.215 -6.139 10.966 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.049 -5.360 11.872 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.418 -4.800 10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.043 -3.900 11.964 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.278 -3.970 10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.700 -3.215 10.358 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.359 -7.044 10.730 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.195 -7.116 9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.279 -7.684 11.003 1.00 0.00 H new ATOM 1132 N LEU A 72 3.263 -3.685 8.354 1.00 0.00 N ATOM 1133 CA LEU A 72 4.465 -3.015 7.886 1.00 0.00 C ATOM 1134 C LEU A 72 5.577 -3.191 8.923 1.00 0.00 C ATOM 1135 O LEU A 72 6.543 -3.914 8.685 1.00 0.00 O ATOM 1136 CB LEU A 72 4.166 -1.554 7.547 1.00 0.00 C ATOM 1137 CG LEU A 72 2.841 -1.290 6.829 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.690 0.194 6.485 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.699 -2.181 5.593 1.00 0.00 C ATOM 0 H LEU A 72 2.500 -3.060 8.614 1.00 0.00 H new ATOM 0 HA LEU A 72 4.818 -3.467 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.176 -0.978 8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.976 -1.173 6.925 1.00 0.00 H new ATOM 0 HG LEU A 72 2.028 -1.549 7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.740 0.355 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.715 0.784 7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.508 0.501 5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.749 -1.973 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.517 -1.978 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.730 -3.228 5.894 1.00 0.00 H new ATOM 1151 N SER A 73 5.403 -2.517 10.050 1.00 0.00 N ATOM 1152 CA SER A 73 6.380 -2.589 11.123 1.00 0.00 C ATOM 1153 C SER A 73 6.728 -4.050 11.417 1.00 0.00 C ATOM 1154 O SER A 73 7.895 -4.436 11.368 1.00 0.00 O ATOM 1155 CB SER A 73 5.860 -1.903 12.388 1.00 0.00 C ATOM 1156 OG SER A 73 6.646 -0.768 12.741 1.00 0.00 O ATOM 0 H SER A 73 4.600 -1.918 10.244 1.00 0.00 H new ATOM 0 HA SER A 73 7.280 -2.065 10.801 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.826 -1.594 12.234 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.861 -2.615 13.213 1.00 0.00 H new ATOM 0 HG SER A 73 6.281 -0.357 13.552 1.00 0.00 H new ATOM 1162 N GLN A 74 5.694 -4.823 11.715 1.00 0.00 N ATOM 1163 CA GLN A 74 5.875 -6.233 12.016 1.00 0.00 C ATOM 1164 C GLN A 74 6.838 -6.870 11.013 1.00 0.00 C ATOM 1165 O GLN A 74 7.682 -7.684 11.387 1.00 0.00 O ATOM 1166 CB GLN A 74 4.533 -6.967 12.031 1.00 0.00 C ATOM 1167 CG GLN A 74 3.604 -6.391 13.101 1.00 0.00 C ATOM 1168 CD GLN A 74 2.602 -7.442 13.581 1.00 0.00 C ATOM 1169 OE1 GLN A 74 2.841 -8.637 13.524 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.469 -6.932 14.057 1.00 0.00 N ATOM 0 H GLN A 74 4.728 -4.499 11.754 1.00 0.00 H new ATOM 0 HA GLN A 74 6.310 -6.319 13.012 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.060 -6.887 11.052 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.697 -8.028 12.220 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.194 -6.033 13.945 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.069 -5.531 12.698 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.333 -5.921 14.076 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.736 -7.552 14.403 1.00 0.00 H new ATOM 1179 N ARG A 75 6.681 -6.476 9.758 1.00 0.00 N ATOM 1180 CA ARG A 75 7.526 -6.999 8.698 1.00 0.00 C ATOM 1181 C ARG A 75 8.920 -6.371 8.772 1.00 0.00 C ATOM 1182 O ARG A 75 9.926 -7.076 8.711 1.00 0.00 O ATOM 1183 CB ARG A 75 6.921 -6.718 7.321 1.00 0.00 C ATOM 1184 CG ARG A 75 5.905 -7.796 6.938 1.00 0.00 C ATOM 1185 CD ARG A 75 6.576 -9.167 6.828 1.00 0.00 C ATOM 1186 NE ARG A 75 5.957 -9.947 5.734 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.353 -11.174 5.369 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.369 -11.768 6.008 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.732 -11.807 4.364 1.00 0.00 N ATOM 0 H ARG A 75 5.981 -5.801 9.451 1.00 0.00 H new ATOM 0 HA ARG A 75 7.601 -8.078 8.836 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.436 -5.742 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.713 -6.678 6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.111 -7.834 7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.437 -7.539 5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.643 -9.045 6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.478 -9.706 7.770 1.00 0.00 H new ATOM 0 HE ARG A 75 5.180 -9.524 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.842 -11.286 6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.670 -12.702 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.958 -11.355 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.033 -12.741 4.086 1.00 0.00 H new ATOM 1203 N GLY A 76 8.934 -5.053 8.903 1.00 0.00 N ATOM 1204 CA GLY A 76 10.188 -4.323 8.986 1.00 0.00 C ATOM 1205 C GLY A 76 10.001 -2.863 8.567 1.00 0.00 C ATOM 1206 O GLY A 76 10.685 -1.976 9.074 1.00 0.00 O ATOM 0 H GLY A 76 8.098 -4.472 8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.571 -4.366 10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.932 -4.797 8.345 1.00 0.00 H new ATOM 1210 N ILE A 77 9.071 -2.660 7.645 1.00 0.00 N ATOM 1211 CA ILE A 77 8.785 -1.323 7.153 1.00 0.00 C ATOM 1212 C ILE A 77 8.747 -0.347 8.330 1.00 0.00 C ATOM 1213 O ILE A 77 7.816 -0.375 9.134 1.00 0.00 O ATOM 1214 CB ILE A 77 7.506 -1.324 6.313 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.764 -1.909 4.922 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.897 0.078 6.241 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.474 -2.462 4.313 1.00 0.00 C ATOM 0 H ILE A 77 8.506 -3.399 7.226 1.00 0.00 H new ATOM 0 HA ILE A 77 9.578 -0.985 6.485 1.00 0.00 H new ATOM 0 HB ILE A 77 6.776 -1.968 6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.177 -1.139 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.508 -2.703 4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.989 0.050 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.654 0.421 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.613 0.763 5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.684 -2.872 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.077 -3.248 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.741 -1.660 4.225 1.00 0.00 H new ATOM 1229 N LEU A 78 9.770 0.492 8.395 1.00 0.00 N ATOM 1230 CA LEU A 78 9.864 1.475 9.461 1.00 0.00 C ATOM 1231 C LEU A 78 9.650 2.874 8.880 1.00 0.00 C ATOM 1232 O LEU A 78 9.189 3.016 7.748 1.00 0.00 O ATOM 1233 CB LEU A 78 11.185 1.319 10.217 1.00 0.00 C ATOM 1234 CG LEU A 78 11.077 1.200 11.739 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.278 -0.042 12.136 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.462 1.223 12.390 1.00 0.00 C ATOM 0 H LEU A 78 10.541 0.512 7.727 1.00 0.00 H new ATOM 0 HA LEU A 78 9.079 1.313 10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.695 0.433 9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.818 2.175 9.983 1.00 0.00 H new ATOM 0 HG LEU A 78 10.531 2.067 12.112 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.216 -0.103 13.223 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.273 0.023 11.718 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.774 -0.933 11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.357 1.137 13.472 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.054 0.388 12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.963 2.160 12.147 1.00 0.00 H new ATOM 1248 N ASP A 79 9.993 3.872 9.681 1.00 0.00 N ATOM 1249 CA ASP A 79 9.844 5.255 9.260 1.00 0.00 C ATOM 1250 C ASP A 79 11.005 5.631 8.337 1.00 0.00 C ATOM 1251 O ASP A 79 12.165 5.384 8.662 1.00 0.00 O ATOM 1252 CB ASP A 79 9.869 6.202 10.462 1.00 0.00 C ATOM 1253 CG ASP A 79 10.226 7.653 10.134 1.00 0.00 C ATOM 1254 OD1 ASP A 79 9.882 8.082 9.011 1.00 0.00 O ATOM 1255 OD2 ASP A 79 10.834 8.301 11.013 1.00 0.00 O ATOM 0 H ASP A 79 10.374 3.751 10.619 1.00 0.00 H new ATOM 0 HA ASP A 79 8.888 5.350 8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.890 6.184 10.940 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.586 5.823 11.190 1.00 0.00 H new ATOM 1260 N GLY A 80 10.651 6.221 7.205 1.00 0.00 N ATOM 1261 CA GLY A 80 11.649 6.634 6.233 1.00 0.00 C ATOM 1262 C GLY A 80 12.139 5.440 5.410 1.00 0.00 C ATOM 1263 O GLY A 80 13.320 5.353 5.079 1.00 0.00 O ATOM 0 H GLY A 80 9.687 6.423 6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.226 7.388 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.492 7.097 6.746 1.00 0.00 H new ATOM 1267 N SER A 81 11.206 4.550 5.104 1.00 0.00 N ATOM 1268 CA SER A 81 11.529 3.366 4.327 1.00 0.00 C ATOM 1269 C SER A 81 11.017 3.526 2.894 1.00 0.00 C ATOM 1270 O SER A 81 10.183 4.387 2.621 1.00 0.00 O ATOM 1271 CB SER A 81 10.934 2.109 4.966 1.00 0.00 C ATOM 1272 OG SER A 81 11.240 2.020 6.354 1.00 0.00 O ATOM 0 H SER A 81 10.227 4.625 5.380 1.00 0.00 H new ATOM 0 HA SER A 81 12.613 3.253 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.852 2.112 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.316 1.226 4.453 1.00 0.00 H new ATOM 0 HG SER A 81 10.724 2.692 6.847 1.00 0.00 H new ATOM 1278 N THR A 82 11.539 2.681 2.016 1.00 0.00 N ATOM 1279 CA THR A 82 11.146 2.718 0.617 1.00 0.00 C ATOM 1280 C THR A 82 10.470 1.405 0.219 1.00 0.00 C ATOM 1281 O THR A 82 11.044 0.330 0.391 1.00 0.00 O ATOM 1282 CB THR A 82 12.389 3.039 -0.215 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.638 4.417 0.050 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.114 2.993 -1.719 1.00 0.00 C ATOM 0 H THR A 82 12.230 1.967 2.246 1.00 0.00 H new ATOM 0 HA THR A 82 10.406 3.497 0.434 1.00 0.00 H new ATOM 0 HB THR A 82 13.183 2.333 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.430 4.708 -0.449 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.029 3.228 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.773 1.996 -1.996 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.344 3.723 -1.971 1.00 0.00 H new ATOM 1292 N VAL A 83 9.261 1.534 -0.306 1.00 0.00 N ATOM 1293 CA VAL A 83 8.501 0.371 -0.731 1.00 0.00 C ATOM 1294 C VAL A 83 8.120 0.526 -2.205 1.00 0.00 C ATOM 1295 O VAL A 83 7.687 1.596 -2.628 1.00 0.00 O ATOM 1296 CB VAL A 83 7.289 0.175 0.182 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.644 -1.193 -0.047 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.674 0.360 1.652 1.00 0.00 C ATOM 0 H VAL A 83 8.788 2.427 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 83 9.106 -0.532 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 83 6.553 0.938 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.785 -1.306 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.316 -1.272 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.370 -1.978 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.795 0.215 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.437 -0.370 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.065 1.366 1.802 1.00 0.00 H new ATOM 1308 N HIS A 84 8.294 -0.559 -2.945 1.00 0.00 N ATOM 1309 CA HIS A 84 7.974 -0.557 -4.362 1.00 0.00 C ATOM 1310 C HIS A 84 6.498 -0.910 -4.556 1.00 0.00 C ATOM 1311 O HIS A 84 6.000 -1.860 -3.954 1.00 0.00 O ATOM 1312 CB HIS A 84 8.913 -1.488 -5.133 1.00 0.00 C ATOM 1313 CG HIS A 84 10.253 -0.875 -5.460 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.516 -0.245 -6.664 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.402 -0.802 -4.728 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.769 0.184 -6.647 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.317 -0.163 -5.447 1.00 0.00 N ATOM 0 H HIS A 84 8.652 -1.445 -2.590 1.00 0.00 H new ATOM 0 HA HIS A 84 8.130 0.441 -4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.072 -2.393 -4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.427 -1.790 -6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.543 -1.197 -3.733 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.269 0.715 -7.443 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.273 0.036 -5.151 1.00 0.00 H new ATOM 1325 N VAL A 85 5.841 -0.127 -5.398 1.00 0.00 N ATOM 1326 CA VAL A 85 4.432 -0.346 -5.679 1.00 0.00 C ATOM 1327 C VAL A 85 4.286 -1.015 -7.047 1.00 0.00 C ATOM 1328 O VAL A 85 5.086 -0.771 -7.949 1.00 0.00 O ATOM 1329 CB VAL A 85 3.667 0.975 -5.574 1.00 0.00 C ATOM 1330 CG1 VAL A 85 3.965 1.878 -6.773 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.163 0.728 -5.435 1.00 0.00 C ATOM 0 H VAL A 85 6.258 0.660 -5.895 1.00 0.00 H new ATOM 0 HA VAL A 85 3.995 -1.019 -4.941 1.00 0.00 H new ATOM 0 HB VAL A 85 4.007 1.488 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.409 2.810 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.033 2.095 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.666 1.373 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.643 1.683 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.802 0.183 -6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.972 0.141 -4.536 1.00 0.00 H new ATOM 1341 N VAL A 86 3.260 -1.845 -7.158 1.00 0.00 N ATOM 1342 CA VAL A 86 2.999 -2.550 -8.401 1.00 0.00 C ATOM 1343 C VAL A 86 1.494 -2.554 -8.674 1.00 0.00 C ATOM 1344 O VAL A 86 0.690 -2.603 -7.744 1.00 0.00 O ATOM 1345 CB VAL A 86 3.599 -3.956 -8.341 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.952 -4.874 -9.380 1.00 0.00 C ATOM 1347 CG2 VAL A 86 5.118 -3.912 -8.519 1.00 0.00 C ATOM 0 H VAL A 86 2.599 -2.045 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 86 3.480 -2.041 -9.237 1.00 0.00 H new ATOM 0 HB VAL A 86 3.389 -4.367 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.397 -5.867 -9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.881 -4.943 -9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.116 -4.467 -10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.519 -4.924 -8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.358 -3.471 -9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.560 -3.310 -7.725 1.00 0.00 H new ATOM 1357 N VAL A 87 1.157 -2.503 -9.955 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.238 -2.500 -10.362 1.00 0.00 C ATOM 1359 C VAL A 87 -0.453 -3.566 -11.438 1.00 0.00 C ATOM 1360 O VAL A 87 -0.698 -3.242 -12.599 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.647 -1.098 -10.820 1.00 0.00 C ATOM 1362 CG1 VAL A 87 0.217 -0.631 -11.993 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -2.133 -1.050 -11.180 1.00 0.00 C ATOM 0 H VAL A 87 1.826 -2.463 -10.724 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.882 -2.753 -9.520 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.482 -0.413 -9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.094 0.368 -12.299 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.263 -0.608 -11.688 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.099 -1.320 -12.829 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.397 -0.043 -11.502 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.335 -1.754 -11.988 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.728 -1.319 -10.307 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.354 -4.818 -11.013 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.534 -5.934 -11.926 1.00 0.00 C ATOM 1375 C ARG A 88 -1.707 -5.663 -12.870 1.00 0.00 C ATOM 1376 O ARG A 88 -2.719 -5.095 -12.462 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.794 -7.234 -11.162 1.00 0.00 C ATOM 1378 CG ARG A 88 0.473 -7.712 -10.448 1.00 0.00 C ATOM 1379 CD ARG A 88 0.158 -8.854 -9.480 1.00 0.00 C ATOM 1380 NE ARG A 88 0.304 -10.156 -10.168 1.00 0.00 N ATOM 1381 CZ ARG A 88 -0.253 -11.298 -9.741 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -0.996 -11.305 -8.626 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -0.067 -12.432 -10.430 1.00 0.00 N ATOM 0 H ARG A 88 -0.152 -5.083 -10.049 1.00 0.00 H new ATOM 0 HA ARG A 88 0.384 -6.042 -12.503 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.590 -7.079 -10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.139 -8.003 -11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.206 -8.045 -11.183 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.923 -6.882 -9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.829 -8.810 -8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.857 -8.748 -9.097 1.00 0.00 H new ATOM 0 HE ARG A 88 0.863 -10.186 -11.020 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.138 -10.441 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.420 -12.174 -8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.498 -12.426 -11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.491 -13.301 -10.105 1.00 0.00 H new